BDBM50447285 CHEMBL3113984

SMILES: CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CC2(COC2)C1)S(=O)(=O)c1cccs1)C(F)(F)F

InChI Key: InChIKey=HLKDUJBSZHOVJV-ZQRQZVKFSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50447285   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hexokinase-4 (Homo sapiens (Human))	BDBM50447285 (CHEMBL3113984) Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CC2(COC2)C1)S(=O)(=O)c1cccs1)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O4S2/c1-21(30,23(24,25)26)17-4-6-18(7-5-17)29-9-8-28(35(31,32)20-3-2-10-34-20)12-19(29)11-27-13-22(14-27)15-33-16-22/h2-7,10,19,30H,8-9,11-16H2,1H3/t19-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...				J Med Chem 57: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair
Hexokinase-4 (Mus musculus (Mouse))	BDBM50447285 (CHEMBL3113984) Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CC2(COC2)C1)S(=O)(=O)c1cccs1)C(F)(F)F |r| Show InChI InChI=1S/C23H28F3N3O4S2/c1-21(30,23(24,25)26)17-4-6-18(7-5-17)29-9-8-28(35(31,32)20-3-2-10-34-20)12-19(29)11-27-13-22(14-27)15-33-16-22/h2-7,10,19,30H,8-9,11-16H2,1H3/t19-,21?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...				J Med Chem 57: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair